(3-morpholin-4-ylcarbonyl-5-nitro-phenyl)boronic acid

Systemtic Name: (3-morpholin-4-ylcarbonyl-5-nitro-phenyl)boronic acid Openeye Name: [3-(morpholine-4-carbonyl)-5-nitro-phenyl]boronic acid CAS Name: [3-[4-morpholinyl(oxo)methyl]-5-nitrophenyl]boronic acid IUPAC Name: [3-(morpholine-4-carbonyl)-5-nitrophenyl]boronic acid Traditional Name: [3-(morpholine-4-carbonyl)-5-nitro-phenyl]boronic acid Formula: C11H13BN2O6 MolecularWeight: 280.04172

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N2CCOCC2)(O)O

Isomeric SMILES

B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N2CCOCC2)(O)O

InChI

InChI=1S/C11H13BN2O6/c15-11(13-1-3-20-4-2-13)8-5-9(12(16)17)7-10(6-8)14(18)19/h5-7,16-17H,1-4H2